| 1 |
Insight Derived from Molecular Dynamics Simulation into the Selectivity Mechanism Targeting c-MYC G-Quadruplex
Wang ZG, Li G, Tian Z, Lou XQ, Huang YN, Wang LH, Li JF, Hou TJ, Liu JP
Journal of Physical Chemistry B, 124(44), 9773, 2020 |
| 2 |
The adsorption, diffusion and capacity of lithium on novel boron-doped graphene nanoribbon: A density functional theory study
Liu HL, Dong HL, Ji YJ, Wang L, Hou TJ, Li YY
Applied Surface Science, 466, 737, 2019 |
| 3 |
End-Point Binding Free Energy Calculation with MM/PBSA and MM/GBSA: Strategies and Applications in Drug Design
Wang EC, Sun HY, Wang JM, Wang Z, Liu H, Zhang JZH, Hou TJ
Chemical Reviews, 119(16), 9478, 2019 |
| 4 |
Benchmark Study Based on 2P2I(DB) to Gain Insights into the Discovery of Small-Molecule PPI Inhibitors
Wang Z, Kang Y, Li D, Sun HY, Dong XW, Yao XJ, Xu L, Chang S, Li YY, Hou TJ
Journal of Physical Chemistry B, 122(9), 2544, 2018 |
| 5 |
Two-dimensional porous polyphthalocyanine (PPc) as an efficient gas-separation membrane for ammonia synthesis
Wang ZR, Dong HL, Yu XH, Ji YJ, Hou TJ, Li YY
Current Applied Physics, 17(12), 1765, 2017 |
| 6 |
B-40 fullerene: An efficient material for CO2 capture, storage and separation
Dong HL, Lin B, Gilmore K, Hou TJ, Lee ST, Li YY
Current Applied Physics, 15(9), 1084, 2015 |
| 7 |
An Enzyme Assisted Electrochemical Detection System of Purine Intracellular Utilizing MWCNTs-IL Modified Glassy Carbon Electrode
Cui JW, Hou TJ, Wang Q, Gao GG, Bi S, Zhou KC, Li JL, Wu DM
Electrochimica Acta, 180, 360, 2015 |
| 8 |
Theoretical investigations on SiC2 siligraphene as promising metal-free catalyst for oxygen reduction reaction
Dong HL, Lin B, Gilmore K, Hou TJ, Lee ST, Li YY
Journal of Power Sources, 299, 371, 2015 |
| 9 |
Assessing the Performance of MM/PBSA and MM/GBSA Methods. 3. The Impact of Force Fields and Ligand Charge Models
Xu L, Sun HY, Li YY, Wang JM, Hou TJ
Journal of Physical Chemistry B, 117(28), 8408, 2013 |
| 10 |
Development of Polarizable Models for Molecular Mechanical Calculations I: Parameterization of Atomic Polarizability
Wang JM, Cieplak P, Li J, Hou TJ, Luo R, Duan Y
Journal of Physical Chemistry B, 115(12), 3091, 2011 |
